Adsorption and reactions of propenoic acid and 2-fluoropropanoic acid on Cu(100) and O/Cu(100)

Hong-Ping Lin, Zi Xian Yang, Szu Han Lee, Tai You Chen, You Jyun Chen, Yun Hsien Chen, Guan Jie Chen, Sheng Xun Zhan, Jong-Liang Lin

Research output: Contribution to journalArticle

Abstract

X-ray photoelectron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed reaction/desorption have been employed to investigate the adsorption and reaction pathways of CH 2 =CHCOOH and CH 3 CHFCOOH on Cu(100) and oxygen-precovered Cu(100) [O/Cu(100)]. In the case of CH 2 =CHCOOH on O/Cu(100), CH 2 =CHCOO is the surface intermediate detected between 110 K and 400 K. CH 2 =CHCOO is adsorbed vertically and can change adsorption sites at a higher temperature. The propenoate (acrylate) decomposes at higher temperatures (>500 K), with formation of >C=C=O (ketenylidene) surface species and gaseous products. On Cu(100), CH 2 =CHCOOH is adsorbed in dimer form and can dissociate to generate CH 2 =CHCOO and CH 3 CHCOO intermediates on the surface. The CH 3 CHCOO continuously recombines with the H from deprotonation of CH 2 =CHCOOH, resulting in the formation CH 3 CH 2 COO. The co-existing CH 2 =CHCOO and CH 3 CH 2 COO further decompose at ∼550 K to evolve reaction products, but without >C=C=O being detected. On O/Cu(100), CH 3 CHFCOOH readily deprotonates to form CH 3 CHFCOO at 120 K. This intermediate reacts on the surface at ∼460 K to evolve gaseous products, also producing CH 2 =CHCOO. In the case of Cu(100), deprotonation of CH 3 CHFCOOH occurs at ∼250 K, forming CH 3 CHFCOO. Without oxygen on the surface, this intermediate decomposes into HF and CH 2 =CHCOO at ∼455 K.

Original languageEnglish
Article number164703
JournalJournal of Chemical Physics
Volume150
Issue number16
DOIs
Publication statusPublished - 2019 Apr 28

Fingerprint

methylidyne
Oxygen
Adsorption
acids
adsorption
Acids
oxygen
Deprotonation
Absorption spectroscopy
Reaction products
Dimers
Temperature
Infrared spectroscopy
Desorption
X ray photoelectron spectroscopy
acrylic acid
complement H100
carboxyl radical
products
acrylates

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Lin, Hong-Ping ; Yang, Zi Xian ; Lee, Szu Han ; Chen, Tai You ; Chen, You Jyun ; Chen, Yun Hsien ; Chen, Guan Jie ; Zhan, Sheng Xun ; Lin, Jong-Liang. / Adsorption and reactions of propenoic acid and 2-fluoropropanoic acid on Cu(100) and O/Cu(100). In: Journal of Chemical Physics. 2019 ; Vol. 150, No. 16.
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title = "Adsorption and reactions of propenoic acid and 2-fluoropropanoic acid on Cu(100) and O/Cu(100)",
abstract = "X-ray photoelectron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed reaction/desorption have been employed to investigate the adsorption and reaction pathways of CH 2 =CHCOOH and CH 3 CHFCOOH on Cu(100) and oxygen-precovered Cu(100) [O/Cu(100)]. In the case of CH 2 =CHCOOH on O/Cu(100), CH 2 =CHCOO is the surface intermediate detected between 110 K and 400 K. CH 2 =CHCOO is adsorbed vertically and can change adsorption sites at a higher temperature. The propenoate (acrylate) decomposes at higher temperatures (>500 K), with formation of >C=C=O (ketenylidene) surface species and gaseous products. On Cu(100), CH 2 =CHCOOH is adsorbed in dimer form and can dissociate to generate CH 2 =CHCOO and CH 3 CHCOO intermediates on the surface. The CH 3 CHCOO continuously recombines with the H from deprotonation of CH 2 =CHCOOH, resulting in the formation CH 3 CH 2 COO. The co-existing CH 2 =CHCOO and CH 3 CH 2 COO further decompose at ∼550 K to evolve reaction products, but without >C=C=O being detected. On O/Cu(100), CH 3 CHFCOOH readily deprotonates to form CH 3 CHFCOO at 120 K. This intermediate reacts on the surface at ∼460 K to evolve gaseous products, also producing CH 2 =CHCOO. In the case of Cu(100), deprotonation of CH 3 CHFCOOH occurs at ∼250 K, forming CH 3 CHFCOO. Without oxygen on the surface, this intermediate decomposes into HF and CH 2 =CHCOO at ∼455 K.",
author = "Hong-Ping Lin and Yang, {Zi Xian} and Lee, {Szu Han} and Chen, {Tai You} and Chen, {You Jyun} and Chen, {Yun Hsien} and Chen, {Guan Jie} and Zhan, {Sheng Xun} and Jong-Liang Lin",
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Adsorption and reactions of propenoic acid and 2-fluoropropanoic acid on Cu(100) and O/Cu(100). / Lin, Hong-Ping; Yang, Zi Xian; Lee, Szu Han; Chen, Tai You; Chen, You Jyun; Chen, Yun Hsien; Chen, Guan Jie; Zhan, Sheng Xun; Lin, Jong-Liang.

In: Journal of Chemical Physics, Vol. 150, No. 16, 164703, 28.04.2019.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Adsorption and reactions of propenoic acid and 2-fluoropropanoic acid on Cu(100) and O/Cu(100)

AU - Lin, Hong-Ping

AU - Yang, Zi Xian

AU - Lee, Szu Han

AU - Chen, Tai You

AU - Chen, You Jyun

AU - Chen, Yun Hsien

AU - Chen, Guan Jie

AU - Zhan, Sheng Xun

AU - Lin, Jong-Liang

PY - 2019/4/28

Y1 - 2019/4/28

N2 - X-ray photoelectron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed reaction/desorption have been employed to investigate the adsorption and reaction pathways of CH 2 =CHCOOH and CH 3 CHFCOOH on Cu(100) and oxygen-precovered Cu(100) [O/Cu(100)]. In the case of CH 2 =CHCOOH on O/Cu(100), CH 2 =CHCOO is the surface intermediate detected between 110 K and 400 K. CH 2 =CHCOO is adsorbed vertically and can change adsorption sites at a higher temperature. The propenoate (acrylate) decomposes at higher temperatures (>500 K), with formation of >C=C=O (ketenylidene) surface species and gaseous products. On Cu(100), CH 2 =CHCOOH is adsorbed in dimer form and can dissociate to generate CH 2 =CHCOO and CH 3 CHCOO intermediates on the surface. The CH 3 CHCOO continuously recombines with the H from deprotonation of CH 2 =CHCOOH, resulting in the formation CH 3 CH 2 COO. The co-existing CH 2 =CHCOO and CH 3 CH 2 COO further decompose at ∼550 K to evolve reaction products, but without >C=C=O being detected. On O/Cu(100), CH 3 CHFCOOH readily deprotonates to form CH 3 CHFCOO at 120 K. This intermediate reacts on the surface at ∼460 K to evolve gaseous products, also producing CH 2 =CHCOO. In the case of Cu(100), deprotonation of CH 3 CHFCOOH occurs at ∼250 K, forming CH 3 CHFCOO. Without oxygen on the surface, this intermediate decomposes into HF and CH 2 =CHCOO at ∼455 K.

AB - X-ray photoelectron spectroscopy, reflection-absorption infrared spectroscopy, and temperature-programmed reaction/desorption have been employed to investigate the adsorption and reaction pathways of CH 2 =CHCOOH and CH 3 CHFCOOH on Cu(100) and oxygen-precovered Cu(100) [O/Cu(100)]. In the case of CH 2 =CHCOOH on O/Cu(100), CH 2 =CHCOO is the surface intermediate detected between 110 K and 400 K. CH 2 =CHCOO is adsorbed vertically and can change adsorption sites at a higher temperature. The propenoate (acrylate) decomposes at higher temperatures (>500 K), with formation of >C=C=O (ketenylidene) surface species and gaseous products. On Cu(100), CH 2 =CHCOOH is adsorbed in dimer form and can dissociate to generate CH 2 =CHCOO and CH 3 CHCOO intermediates on the surface. The CH 3 CHCOO continuously recombines with the H from deprotonation of CH 2 =CHCOOH, resulting in the formation CH 3 CH 2 COO. The co-existing CH 2 =CHCOO and CH 3 CH 2 COO further decompose at ∼550 K to evolve reaction products, but without >C=C=O being detected. On O/Cu(100), CH 3 CHFCOOH readily deprotonates to form CH 3 CHFCOO at 120 K. This intermediate reacts on the surface at ∼460 K to evolve gaseous products, also producing CH 2 =CHCOO. In the case of Cu(100), deprotonation of CH 3 CHFCOOH occurs at ∼250 K, forming CH 3 CHFCOO. Without oxygen on the surface, this intermediate decomposes into HF and CH 2 =CHCOO at ∼455 K.

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